Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate
TL;DR: Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate (CAS 5904-40-5) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate
Also Known As: 4,PROPYL ESTER, 4, PROPYL ESTER, propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 5904-40-5 |
|---|---|
| SMILES | CCCOC(=O)C(CC(C)(C)C)CC(C)(C)C |
| InChIKey | XZLWJDVVGHYHCT-UHFFFAOYSA-N |
Product Overview
Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate (CAS 5904-40-5), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate.
Chemical Property Profile of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate
Property Insights of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate
The XLogP value of 5.1 indicates that Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate?
The CAS number of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate is 5904-40-5.
What is the molecular formula of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate?
The molecular formula of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate is C15H30O2.
What is the molecular weight of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate?
The molecular weight of Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate is 242.22 g/mol.
Where can I buy Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate?
You can request a quote for Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-(2,2-dimethylpropyl)-4,4-dimethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.